3033-1338 Screening compound: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3033-1338 Screening compound: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3033-1338 Screening compound: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1338
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3033-1338

Molecular Formula

C14H13ClN4O2S (C14 H13 ClN4 O2 S)

Compound Name

1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-[(2-chlorophenyl)methyl]-37-dimethyl-8-sulfanyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(S)nc(N(C)C(N2Cc(cccc3)c3Cl)=O)c1C2=O

InChI

InChI=1S/C14H13ClN4O2S/c1-17-10-11(16-13(17)22)18(2)14(21)19(12(10)20)7-8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,22)

InChI Key

YMAHHHZHRSQJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.87

Polar Surface Area

42.804

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3033-1338 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3033-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-1338?
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What is the minimum amount of 3033-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1338
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3033-1338 available by request